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110 SMILES Strings for Cytochrome b-245 heavy chain

Compound NameSMILES String
BDBM42323 CC(=O)c1ccc2Sc3ccccc3Nc2c1
BDBM65841 FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
BDBM67509 Oc1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br |w:8.8|
BDBM71623 CN(C)c1ccc(CN=Nc2c(Cl)cncc2Cl)cc1 |w:9.9|
BDBM50330722 Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
BDBM50330688 Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
BDBM50359518 Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
BDBM50359519 Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
BDBM50359520 COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
BDBM50359521 COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1
BDBM50359522 Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O
BDBM50359523 Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
BDBM50359524 CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
BDBM50359525 Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O
BDBM50359526 Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O
BDBM50359527 COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
BDBM50359528 Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
BDBM50359529 Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
BDBM50359530 Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
BDBM50359531 COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
BDBM50359532 COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
BDBM50359533 COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
BDBM50359534 Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O
BDBM244054 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
BDBM244055 COc1ccc(cc1)N1CCN(CC1C)C(=O)CNc1ccc(cc1)C(C)=O
BDBM244056 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)C
BDBM244057 CCOc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
BDBM244058 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)c(F)c1
BDBM244059 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1cccc(F)c1
BDBM244060 COc1ccc(cc1)N1CCN(CC1)C(=O)CN(CC(=O)N1CCN(CC1)c1ccc(OC)cc1)c1ccc(cc1)C(C)C
BDBM244061 CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
BDBM244062 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)cc1
BDBM244063 COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccccc1F
BDBM244064 COc1ccc(cc1OC)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
BDBM244065 CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
BDBM244066 CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2N)cc1
BDBM244067 CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
BDBM244069 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
BDBM244070 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
BDBM244071 COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
BDBM244072 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
BDBM244073 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1O
BDBM244074 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
BDBM244075 COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(cc2c1C)C(C)=O
BDBM244076 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
BDBM244077 COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(F)cc2c1C
BDBM244079 Oc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
BDBM244080 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
BDBM244081 COC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM244082 CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
BDBM244083 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
BDBM244084 COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(OC)ccc2[nH]1
BDBM244085 COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2n1)c1ccc(OC)cc1
BDBM244086 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
BDBM244087 CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
BDBM244088 COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2cc(ccc2c1O)C(C)=O
BDBM244089 CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
BDBM244090 COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
BDBM244091 CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
BDBM244092 CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(ccc2[nH]1)C(N)=O
BDBM244093 COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
BDBM244094 CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)c(F)c1
BDBM318937 COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
BDBM318938 Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
BDBM318939 Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C
BDBM318940 Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
BDBM318936 COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
BDBM50497257 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
BDBM50497258 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:25:24:3.2:13.8,9:8:3.2:29.24,THB:14:13:3.2:29.24|
BDBM50497259 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
BDBM50497260 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|
BDBM50497261 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
BDBM50497262 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
BDBM50497263 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
BDBM50497264 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccnc3ccccc13)c1c(Br)cccc21 |r,TLB:26:25:3.2:13.8,9:8:3.2:31.25,THB:14:13:3.2:31.25|
BDBM50497265 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
BDBM50497266 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1c[nH]c3ccccc13)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
BDBM50497267 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1ccccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
BDBM50497268 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
BDBM50497269 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(=O)(=O)c1ccc(F)cc1)c1c(Br)cccc21 |r,TLB:9:8:3.2:30.24,25:24:3.2:13.8,THB:14:13:3.2:30.24|
BDBM50497270 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
BDBM50497271 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
BDBM50497272 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|
BDBM50497273 [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18|
CHEMBL5275943 CC(C)n1cc(-c2ccc3CCN(C)c3c2)c2c(NS(=O)(=O)c3cnn(C)c3)ccnc12
BDBM50606914 Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1
CHEMBL5291222 CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
CHEMBL5283659 CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
CHEMBL5266372 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
CHEMBL5290730 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
CHEMBL5269456 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
CHEMBL5287636 CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
CHEMBL5277244 COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)C
CHEMBL5278688 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(OC)c1
CHEMBL5269753 COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCO
CHEMBL5271584 COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCO
CHEMBL5285816 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
CHEMBL5279528 CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
CHEMBL5282886 CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
CHEMBL5287478 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
CHEMBL5266063 CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
CHEMBL5282245 COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)C
CHEMBL5290483 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(OC)c1
CHEMBL5279646 COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCCO
CHEMBL5287582 COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCCO
CHEMBL5270712 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
CHEMBL5268551 CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
CHEMBL5269857 CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
CHEMBL5268914 CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
CHEMBL5286033 CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1